General Information of the Compound
| Compound ID |
CP0521100
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| Compound Name |
N-(2-acetamidoethyl)-N-benzyl-8-bromo-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C22H21BrN4O3
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| Molecular Weight |
469.339
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| Canonical SMILES |
CC(=O)NCCN(Cc1ccccc1)C(=O)c1n[nH]c-2c1COc1ccc(Br)cc-21
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| InChI |
InChI=1S/C22H21BrN4O3/c1-14(28)24-9-10-27(12-15-5-3-2-4-6-15)22(29)21-18-13-30-19-8-7-16(23)11-17(19)20(18)25-26-21/h2-8,11H,9-10,12-13H2,1H3,(H,24,28)(H,25,26)
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| InChIKey |
YQWZYIYSRLNVFH-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound